LZG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C10 | sing | 1.74Å | 1.74Å | |
| C10 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | S3 | sing | 1.73Å | 1.73Å | Aromatic |
| C19 | C13 | sing | 1.42Å | 1.42Å | Aromatic |
| C13 | C2 | doub | 1.39Å | 1.39Å | Aromatic |
| S3 | C2 | sing | 1.72Å | 1.72Å | Aromatic |
| C2 | C5 | sing | 1.45Å | 1.45Å | |
| C5 | O24 | doub | 1.24Å | 1.24Å | |
| C5 | N7 | sing | 1.37Å | 1.37Å | |
| N7 | C6 | sing | 1.48Å | 1.48Å | |
| C6 | C12 | sing | 1.53Å | 1.53Å | |
| C6 | C18 | sing | 1.52Å | 1.52Å | |
| C12 | F32 | sing | 1.39Å | 1.39Å | |
| C12 | C20 | sing | 1.52Å | 1.52Å | |
| C20 | N4 | sing | 1.47Å | 1.47Å | |
| C18 | N4 | sing | 1.48Å | 1.48Å | |
| N4 | C22 | sing | 1.46Å | 1.46Å | |
| C22 | C14 | sing | 1.50Å | 1.50Å | |
| C14 | O27 | doub | 1.25Å | 1.25Å | |
| C14 | N15 | sing | 1.44Å | 1.44Å | |
| N15 | C16 | sing | 1.45Å | 1.45Å | |
| C16 | C17 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C28 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | F33 | sing | 1.35Å | 1.35Å | |
| C17 | C11 | doub | 1.39Å | 1.39Å | Aromatic |
| C28 | C26 | sing | 1.39Å | 1.39Å | Aromatic |
| C26 | C9 | doub | 1.41Å | 1.41Å | Aromatic |
| C9 | C11 | sing | 1.40Å | 1.40Å | Aromatic |
| C9 | N1 | sing | 1.43Å | 1.43Å | |
| N1 | C8 | sing | 1.42Å | 1.42Å | |
| N1 | C21 | sing | 1.42Å | 1.42Å | |
| C8 | O25 | doub | 1.29Å | 1.29Å | |
| C8 | C23 | sing | 1.43Å | 1.43Å | |
| C23 | C30 | doub | 1.37Å | 1.37Å | |
| C30 | C29 | sing | 1.43Å | 1.43Å | |
| C29 | C21 | doub | 1.36Å | 1.36Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N7 | H7 | sing | 1.00Å | 1.00Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C12 | H12 | sing | 1.10Å | 1.10Å | |
| C18 | H181 | sing | 1.10Å | 1.10Å | |
| C18 | H182 | sing | 1.10Å | 1.10Å | |
| C20 | H201 | sing | 1.10Å | 1.10Å | |
| C20 | H202 | sing | 1.10Å | 1.10Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| N15 | H15 | sing | 1.00Å | 1.00Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C10 | C19 | 128.5° | 128.5° |
| CL1 | C10 | S3 | 118.4° | 118.4° |
| C19 | C10 | S3 | 113.1° | 113.1° |
| C10 | C19 | C13 | 112.0° | 112.0° |
| C10 | C19 | H19 | 124.0° | 124.0° |
| C10 | S3 | C2 | 90.5° | 90.5° |
| C19 | C13 | C2 | 111.6° | 111.6° |
| C13 | C19 | H19 | 124.0° | 124.0° |
| C19 | C13 | H13 | 124.2° | 124.2° |
| C13 | C2 | S3 | 112.9° | 112.9° |
| C13 | C2 | C5 | 129.1° | 129.1° |
| C2 | C13 | H13 | 124.2° | 124.2° |
| S3 | C2 | C5 | 118.0° | 118.0° |
| C2 | C5 | O24 | 122.7° | 122.7° |
| C2 | C5 | N7 | 119.2° | 119.2° |
| O24 | C5 | N7 | 118.0° | 118.0° |
| C5 | N7 | C6 | 118.9° | 118.9° |
| C5 | N7 | H7 | 120.5° | 120.5° |
| N7 | C6 | C12 | 108.4° | 108.4° |
| N7 | C6 | C18 | 112.8° | 112.8° |
| C6 | N7 | H7 | 120.5° | 120.5° |
| N7 | C6 | H6 | 107.0° | 107.0° |
| C12 | C6 | C18 | 106.5° | 106.5° |
| C6 | C12 | F32 | 110.8° | 110.8° |
| C6 | C12 | C20 | 104.8° | 104.8° |
| C12 | C6 | H6 | 113.3° | 113.3° |
| C6 | C12 | H12 | 113.1° | 113.1° |
| C6 | C18 | N4 | 104.7° | 104.7° |
| C18 | C6 | H6 | 108.9° | 108.9° |
| C6 | C18 | H181 | 111.1° | 111.1° |
| C6 | C18 | H182 | 112.1° | 112.1° |
| F32 | C12 | C20 | 113.3° | 113.3° |
| F32 | C12 | H12 | 104.6° | 104.6° |
| C12 | C20 | N4 | 103.7° | 103.7° |
| C20 | C12 | H12 | 110.5° | 110.5° |
| C12 | C20 | H201 | 111.4° | 111.4° |
| C12 | C20 | H202 | 112.7° | 112.7° |
| C20 | N4 | C18 | 106.7° | 106.7° |
| C20 | N4 | C22 | 109.8° | 109.8° |
| N4 | C20 | H201 | 111.5° | 111.5° |
| N4 | C20 | H202 | 112.7° | 112.7° |
| C18 | N4 | C22 | 109.8° | 109.8° |
| N4 | C18 | H181 | 111.1° | 111.1° |
| N4 | C18 | H182 | 112.2° | 112.2° |
| N4 | C22 | C14 | 108.7° | 108.7° |
| N4 | C22 | H221 | 109.7° | 109.7° |
| N4 | C22 | H222 | 109.9° | 109.9° |
| C22 | C14 | O27 | 120.6° | 120.6° |
| C22 | C14 | N15 | 118.5° | 118.5° |
| C14 | C22 | H221 | 109.7° | 109.7° |
| C14 | C22 | H222 | 109.9° | 109.9° |
| O27 | C14 | N15 | 121.0° | 121.0° |
| C14 | N15 | C16 | 117.6° | 117.6° |
| C14 | N15 | H15 | 121.3° | 121.2° |
| N15 | C16 | C17 | 120.1° | 120.1° |
| N15 | C16 | C28 | 121.1° | 121.1° |
| C16 | N15 | H15 | 121.2° | 121.2° |
| C17 | C16 | C28 | 118.8° | 118.8° |
| C16 | C17 | F33 | 117.5° | 117.5° |
| C16 | C17 | C11 | 123.0° | 123.0° |
| C16 | C28 | C26 | 120.8° | 120.8° |
| C16 | C28 | H28 | 119.6° | 119.6° |
| F33 | C17 | C11 | 119.5° | 119.5° |
| C17 | C11 | C9 | 116.3° | 116.3° |
| C17 | C11 | H11 | 121.9° | 121.9° |
| C28 | C26 | C9 | 118.2° | 118.2° |
| C26 | C28 | H28 | 119.6° | 119.6° |
| C28 | C26 | H26 | 120.9° | 120.9° |
| C26 | C9 | C11 | 122.9° | 122.9° |
| C26 | C9 | N1 | 118.5° | 118.5° |
| C9 | C26 | H26 | 120.9° | 120.9° |
| C11 | C9 | N1 | 118.6° | 118.6° |
| C9 | C11 | H11 | 121.8° | 121.8° |
| C9 | N1 | C8 | 117.3° | 117.3° |
| C9 | N1 | C21 | 122.5° | 122.5° |
| C8 | N1 | C21 | 120.2° | 120.2° |
| N1 | C8 | O25 | 116.7° | 116.7° |
| N1 | C8 | C23 | 117.1° | 117.1° |
| N1 | C21 | C29 | 120.2° | 120.2° |
| N1 | C21 | H21 | 119.9° | 119.9° |
| O25 | C8 | C23 | 126.2° | 126.2° |
| C8 | C23 | C30 | 122.8° | 122.8° |
| C8 | C23 | H23 | 118.6° | 118.6° |
| C23 | C30 | C29 | 118.6° | 118.6° |
| C30 | C23 | H23 | 118.6° | 118.6° |
| C23 | C30 | H30 | 120.7° | 120.7° |
| C30 | C29 | C21 | 121.0° | 121.0° |
| C29 | C30 | H30 | 120.7° | 120.7° |
| C30 | C29 | H29 | 119.5° | 119.5° |
| C29 | C21 | H21 | 119.9° | 119.9° |
| C21 | C29 | H29 | 119.5° | 119.5° |
| H181 | C18 | H182 | 105.8° | 105.8° |
| H201 | C20 | H202 | 105.1° | 105.1° |
| H221 | C22 | H222 | 108.9° | 108.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C10 | C19 | S3 | 178.6° | 178.6° |
| CL1 | C10 | C19 | C13 | 179.1° | 179.1° |
| CL1 | C10 | S3 | C2 | 179.1° | 179.1° |
| CL1 | C10 | C19 | H19 | 0.9° | 0.9° |
| C10 | C19 | C13 | H19 | 180.0° | 180.0° |
| C10 | C19 | C13 | C2 | 0.6° | 0.6° |
| C19 | C10 | S3 | C2 | 0.3° | 0.3° |
| C10 | C19 | C13 | H13 | 179.5° | 179.5° |
| S3 | C10 | C19 | C13 | 0.5° | 0.5° |
| C10 | S3 | C2 | C13 | 0.0° | 0.0° |
| C10 | S3 | C2 | C5 | 178.6° | 178.6° |
| S3 | C10 | C19 | H19 | 179.5° | 179.5° |
| C19 | C13 | C2 | H13 | 180.0° | 180.0° |
| C19 | C13 | C2 | S3 | 0.3° | 0.3° |
| C19 | C13 | C2 | C5 | 178.7° | 178.7° |
| C13 | C2 | S3 | C5 | 178.6° | 178.6° |
| C13 | C2 | C5 | O24 | 169.8° | 169.8° |
| C13 | C2 | C5 | N7 | 14.5° | 14.5° |
| C2 | C13 | C19 | H19 | 179.5° | 179.5° |
| S3 | C2 | C5 | O24 | 8.5° | 8.5° |
| S3 | C2 | C5 | N7 | 167.2° | 167.2° |
| S3 | C2 | C13 | H13 | 179.7° | 179.7° |
| C2 | C5 | O24 | N7 | 175.8° | 175.8° |
| C2 | C5 | N7 | C6 | 179.3° | 179.3° |
| C5 | C2 | C13 | H13 | 1.3° | 1.3° |
| C2 | C5 | N7 | H7 | 0.7° | 0.7° |
| O24 | C5 | N7 | C6 | 4.7° | 4.7° |
| O24 | C5 | N7 | H7 | 175.2° | 175.2° |
| C5 | N7 | C6 | H7 | 180.0° | 180.0° |
| C5 | N7 | C6 | C12 | 166.2° | 166.2° |
| C5 | N7 | C6 | C18 | 76.0° | 76.0° |
| C5 | N7 | C6 | H6 | 43.7° | 43.7° |
| N7 | C6 | C12 | C18 | 121.7° | 121.7° |
| N7 | C6 | C12 | H6 | 118.6° | 118.6° |
| N7 | C6 | C18 | H6 | 118.6° | 118.6° |
| N7 | C6 | C12 | F32 | 106.0° | 106.0° |
| N7 | C6 | C12 | C20 | 131.4° | 131.4° |
| N7 | C6 | C18 | N4 | 106.1° | 106.1° |
| N7 | C6 | C12 | H12 | 11.0° | 11.0° |
| N7 | C6 | C18 | H181 | 133.9° | 133.9° |
| N7 | C6 | C18 | H182 | 15.7° | 15.7° |
| C12 | C6 | C18 | H6 | 122.5° | 122.5° |
| C6 | C12 | F32 | C20 | 117.5° | 117.5° |
| C6 | C12 | F32 | H12 | 122.1° | 122.1° |
| C6 | C12 | C20 | H12 | 122.1° | 122.1° |
| C6 | C12 | C20 | N4 | 28.7° | 28.7° |
| C12 | C6 | C18 | N4 | 12.8° | 12.8° |
| C12 | C6 | N7 | H7 | 13.8° | 13.8° |
| C12 | C6 | C18 | H181 | 107.2° | 107.2° |
| C12 | C6 | C18 | H182 | 134.6° | 134.6° |
| C6 | C12 | C20 | H201 | 148.7° | 148.7° |
| C6 | C12 | C20 | H202 | 93.5° | 93.5° |
| C18 | C6 | C12 | F32 | 132.3° | 132.3° |
| C18 | C6 | C12 | C20 | 9.7° | 9.7° |
| C6 | C18 | N4 | C20 | 31.7° | 31.7° |
| C6 | C18 | N4 | H181 | 120.0° | 120.0° |
| C6 | C18 | N4 | H182 | 121.8° | 121.8° |
| C6 | C18 | N4 | C22 | 150.6° | 150.6° |
| C18 | C6 | N7 | H7 | 104.0° | 104.0° |
| C18 | C6 | C12 | H12 | 110.7° | 110.7° |
| C6 | C18 | H181 | H182 | 121.9° | 121.9° |
| F32 | C12 | C20 | H12 | 117.0° | 117.0° |
| F32 | C12 | C20 | N4 | 149.6° | 149.6° |
| F32 | C12 | C6 | H6 | 12.6° | 12.6° |
| F32 | C12 | C20 | H201 | 90.4° | 90.4° |
| F32 | C12 | C20 | H202 | 27.5° | 27.5° |
| C12 | C20 | N4 | H201 | 120.0° | 120.0° |
| C12 | C20 | N4 | H202 | 122.1° | 122.1° |
| C12 | C20 | N4 | C18 | 38.0° | 38.0° |
| C12 | C20 | N4 | C22 | 156.9° | 156.9° |
| C20 | C12 | C6 | H6 | 110.0° | 110.0° |
| C12 | C20 | H201 | H202 | 122.3° | 122.3° |
| C20 | N4 | C18 | C22 | 118.9° | 118.9° |
| C20 | N4 | C22 | C14 | 161.6° | 161.6° |
| N4 | C20 | C12 | H12 | 93.4° | 93.4° |
| C20 | N4 | C18 | H181 | 88.2° | 88.2° |
| C20 | N4 | C18 | H182 | 153.5° | 153.5° |
| N4 | C20 | H201 | H202 | 122.4° | 122.4° |
| C20 | N4 | C22 | H221 | 41.6° | 41.6° |
| C20 | N4 | C22 | H222 | 78.1° | 78.1° |
| C18 | N4 | C22 | C14 | 81.4° | 81.4° |
| N4 | C18 | C6 | H6 | 135.2° | 135.2° |
| N4 | C18 | H181 | H182 | 122.0° | 122.0° |
| C18 | N4 | C20 | H201 | 157.9° | 157.9° |
| C18 | N4 | C20 | H202 | 84.2° | 84.2° |
| C18 | N4 | C22 | H221 | 158.6° | 158.6° |
| C18 | N4 | C22 | H222 | 38.9° | 38.9° |
| N4 | C22 | C14 | H221 | 120.0° | 120.0° |
| N4 | C22 | C14 | H222 | 120.3° | 120.3° |
| N4 | C22 | C14 | O27 | 171.1° | 171.1° |
| N4 | C22 | C14 | N15 | 9.0° | 9.0° |
| C22 | N4 | C18 | H181 | 30.7° | 30.7° |
| C22 | N4 | C18 | H182 | 87.6° | 87.6° |
| C22 | N4 | C20 | H201 | 83.1° | 83.1° |
| C22 | N4 | C20 | H202 | 34.7° | 34.7° |
| N4 | C22 | H221 | H222 | 120.3° | 120.3° |
| C22 | C14 | O27 | N15 | 179.9° | 179.9° |
| C22 | C14 | N15 | C16 | 179.3° | 179.3° |
| C14 | C22 | H221 | H222 | 120.3° | 120.3° |
| C22 | C14 | N15 | H15 | 0.7° | 0.7° |
| O27 | C14 | N15 | C16 | 0.6° | 0.6° |
| O27 | C14 | C22 | H221 | 68.9° | 68.9° |
| O27 | C14 | C22 | H222 | 50.8° | 50.8° |
| O27 | C14 | N15 | H15 | 179.4° | 179.4° |
| C14 | N15 | C16 | H15 | 180.0° | 180.0° |
| C14 | N15 | C16 | C17 | 62.4° | 62.4° |
| C14 | N15 | C16 | C28 | 115.1° | 115.1° |
| N15 | C14 | C22 | H221 | 111.0° | 111.0° |
| N15 | C14 | C22 | H222 | 129.3° | 129.3° |
| N15 | C16 | C17 | C28 | 177.5° | 177.5° |
| N15 | C16 | C17 | F33 | 2.6° | 2.6° |
| N15 | C16 | C17 | C11 | 178.2° | 178.2° |
| N15 | C16 | C28 | C26 | 178.0° | 178.0° |
| N15 | C16 | C28 | H28 | 2.0° | 2.0° |
| C16 | C17 | F33 | C11 | 179.2° | 179.2° |
| C17 | C16 | C28 | C26 | 0.5° | 0.5° |
| C16 | C17 | C11 | C9 | 0.1° | 0.1° |
| C17 | C16 | N15 | H15 | 117.7° | 117.7° |
| C17 | C16 | C28 | H28 | 179.5° | 179.5° |
| C16 | C17 | C11 | H11 | 179.9° | 179.9° |
| C28 | C16 | C17 | F33 | 179.8° | 179.8° |
| C28 | C16 | C17 | C11 | 0.6° | 0.6° |
| C16 | C28 | C26 | H28 | 180.0° | 180.0° |
| C16 | C28 | C26 | C9 | 0.4° | 0.4° |
| C28 | C16 | N15 | H15 | 64.8° | 64.8° |
| C16 | C28 | C26 | H26 | 179.6° | 179.6° |
| F33 | C17 | C11 | C9 | 179.1° | 179.1° |
| F33 | C17 | C11 | H11 | 0.9° | 0.9° |
| C17 | C11 | C9 | C26 | 1.0° | 1.0° |
| C17 | C11 | C9 | H11 | 180.0° | 180.0° |
| C17 | C11 | C9 | N1 | 176.7° | 176.7° |
| C28 | C26 | C9 | H26 | 180.0° | 180.0° |
| C28 | C26 | C9 | C11 | 1.2° | 1.2° |
| C28 | C26 | C9 | N1 | 176.9° | 176.9° |
| C26 | C9 | C11 | N1 | 175.7° | 175.7° |
| C26 | C9 | N1 | C8 | 101.9° | 101.9° |
| C26 | C9 | N1 | C21 | 77.2° | 77.2° |
| C9 | C26 | C28 | H28 | 179.6° | 179.6° |
| C26 | C9 | C11 | H11 | 179.0° | 179.0° |
| C11 | C9 | N1 | C8 | 74.0° | 74.0° |
| C11 | C9 | N1 | C21 | 106.9° | 106.9° |
| C11 | C9 | C26 | H26 | 178.8° | 178.8° |
| C9 | N1 | C8 | C21 | 179.1° | 179.1° |
| C9 | N1 | C8 | O25 | 1.1° | 1.1° |
| C9 | N1 | C8 | C23 | 179.9° | 179.9° |
| C9 | N1 | C21 | C29 | 179.5° | 179.5° |
| N1 | C9 | C11 | H11 | 3.3° | 3.3° |
| N1 | C9 | C26 | H26 | 3.1° | 3.1° |
| C9 | N1 | C21 | H21 | 0.5° | 0.5° |
| N1 | C8 | O25 | C23 | 178.9° | 178.9° |
| N1 | C8 | C23 | C30 | 0.4° | 0.4° |
| C8 | N1 | C21 | C29 | 1.5° | 1.5° |
| C8 | N1 | C21 | H21 | 178.6° | 178.5° |
| N1 | C8 | C23 | H23 | 179.7° | 179.7° |
| C21 | N1 | C8 | O25 | 179.8° | 179.8° |
| C21 | N1 | C8 | C23 | 0.8° | 0.8° |
| N1 | C21 | C29 | C30 | 1.7° | 1.7° |
| N1 | C21 | C29 | H21 | 180.0° | 180.0° |
| N1 | C21 | C29 | H29 | 178.3° | 178.3° |
| O25 | C8 | C23 | C30 | 179.3° | 179.3° |
| O25 | C8 | C23 | H23 | 0.8° | 0.8° |
| C8 | C23 | C30 | H23 | 180.0° | 180.0° |
| C8 | C23 | C30 | C29 | 0.6° | 0.6° |
| C8 | C23 | C30 | H30 | 179.4° | 179.4° |
| C23 | C30 | C29 | H30 | 180.0° | 180.0° |
| C23 | C30 | C29 | C21 | 1.3° | 1.3° |
| C23 | C30 | C29 | H29 | 178.7° | 178.7° |
| C30 | C29 | C21 | H29 | 180.0° | 180.0° |
| C30 | C29 | C21 | H21 | 178.3° | 178.3° |
| C29 | C30 | C23 | H23 | 179.4° | 179.4° |
| C21 | C29 | C30 | H30 | 178.7° | 178.7° |
| H19 | C19 | C13 | H13 | 0.5° | 0.5° |
| H7 | N7 | C6 | H6 | 136.3° | 136.3° |
| H6 | C6 | C12 | H12 | 129.6° | 129.6° |
| H6 | C6 | C18 | H181 | 15.2° | 15.2° |
| H6 | C6 | C18 | H182 | 102.9° | 102.9° |
| H12 | C12 | C20 | H201 | 26.6° | 26.6° |
| H12 | C12 | C20 | H202 | 144.4° | 144.4° |
| H28 | C28 | C26 | H26 | 0.4° | 0.4° |
| H21 | C21 | C29 | H29 | 1.7° | 1.7° |
| H23 | C23 | C30 | H30 | 0.6° | 0.6° |
| H30 | C30 | C29 | H29 | 1.3° | 1.2° |
